Triethyl Citrate

Triethyl Citrate

SCHEMBL5250346

CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC.O=[Ti]=O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.40
PKM P14618 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
SOAT1 P35610 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.37
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Triethyl Citrate SCHEMBL901127 0.94 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL23465 0.94 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL14856311 0.92 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL28041956 0.92 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL6236671 0.92 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL29035980 0.92 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL28185576 0.90 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL17898236 0.90 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL5162146 0.88 PKM (0.43) GAAMGAMSIMGAM2ALDH1A1
Triethyl Citrate SCHEMBL28853817 0.88 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181000-B1 A METHOD FOR OBTAINING PHOTOSTABLE SUNSCREEN COMPOSITIONS SOL GEL TECHNOLOGIES LTD (IL) 2007-02-07 EP disclosed